REMARK  Name = BDB022982
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.254  -1.761  -0.539  0.00  0.00    +0.220 C 
ATOM      2  N   LIG    1       -0.510  -1.717   0.641  0.00  0.00    -0.292 N 
ATOM      3  C   LIG    1        0.082  -2.990   1.129  0.00  0.00    +0.078 C 
ATOM      4  C   LIG    1       -1.006  -3.917   1.687  0.00  0.00    +0.028 C 
ATOM      5  C   LIG    1        1.191  -2.818   2.197  0.00  0.00    +0.060 C 
ATOM      6  C   LIG    1        2.039  -1.623   1.920  0.00  0.00    -0.005 A 
ATOM      7  C   LIG    1        1.440  -0.460   1.479  0.00  0.00    +0.067 A 
ATOM      8  N   LIG    1        2.125   0.678   1.251  0.00  0.00    -0.218 NA
ATOM      9  C   LIG    1        3.446   0.649   1.470  0.00  0.00    +0.216 A 
ATOM     10  N   LIG    1        4.111  -0.434   1.898  0.00  0.00    -0.223 NA
ATOM     11  C   LIG    1        3.393  -1.550   2.125  0.00  0.00    +0.120 A 
ATOM     12  C   LIG    1       -0.059  -0.473   1.287  0.00  0.00    +0.163 C 
ATOM     13  O   LIG    1       -1.317  -2.807  -1.190  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   1  20
ATOM     14  C   LIG    1       -3.894  -2.809  -2.601  0.00  0.00    +0.024 C 
ATOM     15  C   LIG    1       -3.918  -1.276  -2.626  0.00  0.00    +0.054 C 
ATOM     16  N   LIG    1       -4.878  -0.646  -1.708  0.00  0.00    -0.302 NA
ATOM     17  C   LIG    1       -6.251  -1.103  -1.907  0.00  0.00    +0.105 C 
ATOM     18  C   LIG    1       -4.480  -0.769  -0.302  0.00  0.00    +0.093 C 
ATOM     19  C   LIG    1       -3.115  -0.118   0.015  0.00  0.00    +0.045 C 
ATOM     20  C   LIG    1       -2.007  -0.502  -0.999  0.00  0.00    +0.085 C 
ATOM     21  C   LIG    1       -2.526  -0.640  -2.447  0.00  0.00    +0.032 C 
BRANCH  19  22
ATOM     22  C   LIG    1       -3.220   1.394   0.218  0.00  0.00    -0.042 A 
ATOM     23  C   LIG    1       -2.861   1.955   1.456  0.00  0.00    +0.004 A 
ATOM     24  C   LIG    1       -2.931   3.334   1.667  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -3.366   4.175   0.647  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -3.736   3.636  -0.582  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -3.665   2.257  -0.794  0.00  0.00    +0.004 A 
ENDBRANCH  19  22
ENDBRANCH   1  20
BRANCH   9  28
ATOM     28  N   LIG    1        4.113   1.835   1.223  0.00  0.00    -0.310 N 
ATOM     29  H   LIG    1        3.490   2.409   0.665  0.00  0.00    +0.149 HD
BRANCH  28  30
ATOM     30  C   LIG    1        5.489   1.737   0.750  0.00  0.00    +0.077 C 
ATOM     31  C   LIG    1        6.138   3.122   0.853  0.00  0.00    +0.050 C 
ATOM     32  C   LIG    1        7.535   3.090   0.254  0.00  0.00    +0.161 C 
ATOM     33  O   LIG    1        7.491   2.643  -1.101  0.00  0.00    -0.380 OA
ATOM     34  C   LIG    1        6.979   1.316  -1.215  0.00  0.00    +0.161 C 
ATOM     35  C   LIG    1        5.550   1.244  -0.699  0.00  0.00    +0.050 C 
ENDBRANCH  28  30
ENDBRANCH   9  28
TORSDOF 4